N4-(1,3-benzodioxol-5-yl)-6-(4-bromanylphenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-(4-bromanylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-(4-bromophenoxy)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-(4-bromophenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-(4-bromophenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C17H13BrN4O3 MolecularWeight: 401.21412

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)N

InChI

InChI=1S/C17H13BrN4O3/c18-10-1-4-12(5-2-10)25-17-15(19)16(20-8-21-17)22-11-3-6-13-14(7-11)24-9-23-13/h1-8H,9,19H2,(H,20,21,22)